Vitas-M small molecule compound
2-bromo-6-ethoxy-4-{(E)-[2-(morpholin-4-ium-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}phenolate
Catalog ID
STL054711
SMILES CCOc1cc(/C=C\2/SC(=NC2=O)[NH+]2CCOCC2)cc(c1[O-])Br
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C16H17BrN2O4S MW 413.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN2O4S/c1-2-23-12-8-10(7-11(17)14(12)20)9-13-15(21)18-16(24-13)19-3-5-22-6-4-19/h7-9,20H,2-6H2,1H3/b13-9+InChIKey
ULIUQPJDDJQATC-UKTHLTGXSA-NSynonyms
724747-91-5(5E)5((3BROMO5ETHOXY4HYDROXYPHENYL)METHYLIDENE)2MORPHOLIN4YL13THIAZOL4ONE
2bromo6ethoxy4((E)(2(morpholin4ium4yl)4oxo13thiazol5(4H)ylidene)methyl)phenolate
2BROMO6ETHOXY4((E)(2MORPHOLIN4IUM4YL4OXO13THIAZOL5YLIDENE)METHYL)PHENOLATE
724747915
CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)(NH+)3CCOCC3)Br)(O)
CCOc1cc(C=C2SC(=NC2=O)(NH+)2CCOCC2)cc(c1(O))Br
InChI=1SC16H17BrN2O4Sc122312810(711(17)14(12)20)91315(21)1816(2413)1935226419h7920H26H21H3b139+
MFCD04162050
ZINC000001871985
ZINC01871985
ZINC1871985
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